2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one

C14H16N2OS2 — CID 135511206

IUPAC2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2cccs2)nc(SC2CCCC2)[nH]1
InChIInChI=1S/C14H16N2OS2/c17-13-9-10(8-12-6-3-7-18-12)15-14(16-13)19-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,15,16,17)
InChIKeyGXOYTQWJSFKVHG-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.46
Rot. Bonds4

About 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one

2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135511206) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135511206
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2cccs2)nc(SC2CCCC2)[nH]1
InChIInChI=1S/C14H16N2OS2/c17-13-9-10(8-12-6-3-7-18-12)15-14(16-13)19-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,15,16,17)
InChIKeyGXOYTQWJSFKVHG-UHFFFAOYSA-N
XLogP3.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
2-[(4-Hydroxy-6-methylpyrimidin-2-YL)sulfanyl]-1-(thiophen-2-YL)ethanone
CID 135407493
2-(Cyclopentylthio)-6-[(phenylthio)methyl]pyrimidin-4(3H)-one
CID 135496373
2-(sec-Butylthio)-6-[(phenylthio)methyl]pyrimidin-4(3H)-one
CID 135499677
2-sec-butylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511205
2-cyclohexylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511207
2-sec-butylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511208
2-cyclopentylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511209
2-cyclohexylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511210
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135445605
2-ethylsulfanyl-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 137307525
2-(2-thiophen-2-ylethylsulfanyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136797652

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (CID 135511206) is 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(Cc2cccs2)nc(SC2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is GXOYTQWJSFKVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c17-13-9-10(8-12-6-3-7-18-12)15-14(16-13)19-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,15,16,17).
What are the key properties of 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135511206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).